* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    222     405
    1     0 S   NP   _N1_     1    29.06581    95.35424   -26.17119
    2     1 S   H    _HN1     2     1.02796   122.56856  -106.59800
    3     1 S   H    _H1_     3     1.02947    80.26062    -0.94419
    4     1 S   H    _H2_     4     1.02827    27.30469  -170.29506
    5     1 S   CT   _CA1     5     1.50126   117.24149   107.11215
    6     5 S   HC   _HA1     6     1.09574   105.15762    88.38637
    7     5 S   CO3  _C1_     7     1.53760   112.45061   -31.81977
    8     7 S   O2Z  _O11     8     1.26376   115.00510   -42.92096
    9     7 S   O2Z  _O12     9     1.26233   114.93721   136.06542
   10     5 S   CT   _CB1    10     1.53055   107.40410  -153.65587
   11    10 S   HC   HB11    11     1.09844   109.31309   -49.37024
   12    10 S   HC   HB12    12     1.09810   110.48567    67.21264
   13    10 S   CT   _CG1    13     1.53034   112.65677  -170.29739
   14    13 S   HC   HG11    14     1.09566   110.75793   -67.75701
   15    13 S   HC   HG12    15     1.09668   109.68084    51.50100
   16    13 S   C    _CD1    16     1.51818   111.90395   171.99308
   17    16 S   O    _OE1    17     1.22766   123.13992    13.78008
   18    16 S   N    _N2_    18     1.38649   111.90107  -166.23208
   19    18 S   H    _HN2    19     1.01579   119.01688     0.81205
   20    18 S   CT1  _CA2    20     1.46212   123.33128   176.15595
   21    20 S   HC   _HA2    21     1.09741   109.24102     8.05527
   22    20 S   C    _C2_    22     1.53698   108.95820  -107.43403
   23    22 S   O    _O2_    23     1.23087   122.20163  -149.48373
   24    20 S   CT   _CB2    32     1.53291   111.72221   129.99825
   25    24 S   HC   HB21    33     1.09599   110.21255    56.66672
   26    24 S   HC   HB22    34     1.09412   110.07021   175.62368
   27    22 S   N    _N3_    24     1.38297   113.91411    38.03297
   28    27 S   H    _HN3    25     1.01536   119.62283    -3.26663
   29    24 S   S    _SG2    35     1.82543   111.66083   -64.03495
   30    27 S   CT   _CA3    26     1.45284   123.32002   177.20768
   31    30 S   HC   HA31    27     1.09546   107.50794   -64.96776
   32    30 S   HC   HA32    28     1.09554   108.01082    51.50396
   33    29 S   CT   _C9_    36     1.84199    99.16455  -176.14461
   34    33 S   HC   _H4_    37     1.09572   108.57281   -24.03005
   35    30 S   CO3  _C3_    29     1.52985   114.01052   173.49778
   36    35 S   O2Z  _O31    30     1.26390   116.06667    -0.70137
   37    35 S   O2Z  _O32    31     1.26421   114.42479   179.36234
   38    33 S   CM   _C10    38     1.51474   108.12222  -144.76244
   39    38 S   CM   _C6_    39     1.46440   108.59445   -92.96645
   40    39 S   CM   _C5_    40     1.34980   120.93350   168.54993
   41    39 S   CT   _C7_    61     1.50832   108.23153   -10.55411
   42    41 S   HC   _H3_    62     1.09731   108.77795   105.35440
   43    40 S   C3T  _C13    41     1.50600   118.70844    -0.52712
   44    40 S   CT   _C4_    57     1.50585   122.60643  -179.28921
   45    44 S   HC   _H5_    58     1.09468   110.86332   124.77917
   46    44 S   HC   _H6_    59     1.09235   113.31284     5.89867
   47    44 S   HC   _H7_    60     1.09474   110.11980  -114.89294
   48    33 S   CT   _C8_    63     1.55488   116.27509   101.72459
   49    41 S   OH   _O35    72     1.41839   112.11827  -134.54637
   50    49 S   HO   _H22    73     0.97184   107.43516  -179.31672
   51    43 S   C3T  _C14    42     1.51859   121.24355  -177.60559
   52    51 S   HC   _H8_    43     1.08231   120.40752    -5.39209
   53    51 S   HC   _H9_    44     1.08478   118.63156  -151.21345
   54    43 S   CT   _C12    48     1.55778   113.73982    30.73785
   55    48 S   CT   _C17    64     1.53682   115.28794   -40.73214
   56    55 S   HC   _H16    65     1.09514   111.03718   -58.42813
   57    55 S   HC   _H17    66     1.09614   110.94419  -177.82597
   58    55 S   HC   _H18    67     1.09443   112.41514    62.88619
   59    48 S   CT   _C18    68     1.55310   109.13297  -160.95038
   60    59 S   HC   _H19    69     1.09623   110.58782    60.82740
   61    59 S   HC   _H20    70     1.09522   112.41510   -59.35739
   62    59 S   HC   _H21    71     1.09584   111.44650  -179.96044
   63    43 S   C3T  _C15    45     1.52642   114.55899  -110.26991
   64    63 S   HC   _H10    46     1.08342   119.27985   139.57685
   65    63 S   HC   _H11    47     1.08428   119.18989    -5.93577
   66    38 S   CMA  _C11    49     1.35439   127.07345    94.67052
   67    66 S   OM   _O34    50     1.26473   130.35772    -4.13777
   68    54 S   CT   _C16    51     1.54403   109.09911    79.73733
   69    68 S   HC   _H12    52     1.09625   110.78532    57.49440
   70    68 S   HC   _H13    53     1.09529   112.16936   -63.04994
   71    68 S   HC   _H14    54     1.09630   111.32478   175.35236
   72    54 S   OH   _O33    55     1.44122   108.80656  -165.15921
   73    72 S   HO   _H15    56     0.97408   106.17580   147.04513
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  15  18  19  15   5  19   6   2   1   1  11
   3   1   9   5   4  11   7   3   2   1   3   2   1   1   5   1
   1   7   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    66    41    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    54    66    67    41    42    48    55    56    57    58    59    60    61    62    49  
   38    39    66    41    48    55    59  
   36    37  
   37  
    0  
   39    40    43    54    66    67    68    72    44    41    42    48    55    59    49  
   40    43    51    63    54    66    67    44    45    46    47    41    42    48    55    59    49    50  
   43    51    52    53    63    64    65    54    66    68    72    44    45    46    47    41    42    48    49  
   42    48    55    56    57    58    59    60    61    62    49    50    43    44    66  
   48    55    59    49    50  
   51    52    53    63    64    65    54    66    67    68    69    70    71    72    73    44    45    46    47  
   45    46    47    51    54    63  
   46    47  
   47  
    0  
   55    56    57    58    59    60    61    62    49    50    66  
   50    55    59  
    0  
   52    53    63    64    65    54    66    68    72  
   53    63    64    65    54  
   63    64    65    54  
   66    67    68    69    70    71    72    73    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    68    72  
   65  
    0  
   67    68    69    70    71    72    73  
   68    72  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    66   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    43   305.000  1.480
   40    44   317.000  1.510
   43    51   260.000  1.509
   43    63   260.000  1.509
   43    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    63   260.000  1.509
   63    64   340.000  1.088
   63    65   340.000  1.088
   54    66   270.000  1.512
   54    68   268.000  1.529
   54    72   320.000  1.410
   66    67   745.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    49   320.000  1.410
   48    55   268.000  1.529
   48    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    66    70.00000  124.00000
   33    48    41    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    66    54    65.00000  122.18000
   38    66    67    65.00000  137.10300
   39    40    43    55.00000  125.06700
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  109.50000
   39    41    48    70.00000  112.02700
   39    41    49    90.00000  110.39200
   40    43    51    60.00000  120.58800
   40    43    63    60.00000  120.58800
   40    43    54    65.00000  117.55000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    51    52    37.50000  117.20000
   43    51    53    37.50000  117.20000
   43    51    63    10.00000   60.00500
   43    63    51    10.00000   60.00500
   43    63    64    37.50000  117.20000
   43    63    65    37.50000  117.20000
   43    54    66    70.00000  112.02700
   43    54    68    70.00000  112.37300
   43    54    72    50.00000  109.50000
   51    63    64    37.50000  117.20000
   51    63    65    37.50000  117.20000
   53    51    52    35.00000  114.30000
   63    43    51    10.00000   60.00500
   63    51    52    37.50000  117.20000
   63    51    53    37.50000  117.20000
   65    63    64    35.00000  114.30000
   54    43    51    60.00000  120.94000
   54    43    63    60.00000  120.94000
   54    66    67    85.00000  112.85300
   54    68    69    37.50000  110.70000
   54    68    70    37.50000  110.70000
   54    68    71    37.50000  110.70000
   54    72    73    55.00000  108.50000
   66    38    39    70.00000  117.34000
   68    54    66    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    54    66    90.00000  110.39200
   72    54    68    50.00000  109.50000
   44    40    43    65.00000  117.92700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   41    39    40    70.00000  124.00000
   41    48    55    58.35000  112.70000
   41    48    59    58.35000  112.70000
   41    49    50    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    41    42    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    62    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    48    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    66   0.42700  1.0 1.0
   29    33    38    66  -0.70350 -1.0 2.0
   29    33    38    66  -0.43150  1.0 3.0
   29    33    48    41   0.44750  1.0 1.0
   29    33    48    41  -0.17800 -1.0 2.0
   29    33    48    41   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.44750  1.0 1.0
   29    33    48    59  -0.17800 -1.0 2.0
   29    33    48    59   0.20200  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38   -39    41   0.35650  1.0 1.0
   33    38   -39    41   0.31450 -1.0 2.0
   33    38    66    54   7.00000 -1.0 2.0
   33    38    66    67   7.00000 -1.0 2.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60   0.15000  1.0 3.0
   33    48    59    61   0.15000  1.0 3.0
   33    48    59    62   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    66   0.00000  1.0 1.0
   34    33    48    41   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.15000  1.0 3.0
   38    33   -48    41   0.34400  1.0 1.0
   38    33   -48    41   0.09450 -1.0 2.0
   38    33   -48    41   0.11100  1.0 3.0
   38    33    48    55   0.34400  1.0 1.0
   38    33    48    55   0.09450 -1.0 2.0
   38    33    48    55   0.11100  1.0 3.0
   38    33    48    59   0.34400  1.0 1.0
   38    33    48    59   0.09450 -1.0 2.0
   38    33    48    59   0.11100  1.0 3.0
   38    39    40    43   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39   -41    48   0.98200  1.0 1.0
   38    39   -41    48  -0.11900 -1.0 2.0
   38    39   -41    48   0.24250  1.0 3.0
   38    39    41    49  -0.17300  1.0 1.0
   38    39    41    49   0.35150 -1.0 2.0
   38    39    41    49   0.31550  1.0 3.0
   39    38    66    54   7.00000 -1.0 2.0
   39    38    66    67   7.00000 -1.0 2.0
   39    40    43    51   0.09850  1.0 1.0
   39    40    43    51   0.15250 -1.0 2.0
   39    40    43    51  -0.50650  1.0 3.0
   39    40    43    63   0.09850  1.0 1.0
   39    40    43    63   0.15250 -1.0 2.0
   39    40    43    63  -0.50650  1.0 3.0
   39    40   -43    54   0.09850  1.0 1.0
   39    40   -43    54   0.15250 -1.0 2.0
   39    40   -43    54  -0.50650  1.0 3.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40    44    47   0.00000  1.0 1.0
   39    41   -48    33   0.34400  1.0 1.0
   39    41   -48    33   0.09450 -1.0 2.0
   39    41   -48    33   0.11100  1.0 3.0
   39    41    48    55   0.34400  1.0 1.0
   39    41    48    55   0.09450 -1.0 2.0
   39    41    48    55   0.11100  1.0 3.0
   39    41    48    59   0.34400  1.0 1.0
   39    41    48    59   0.09450 -1.0 2.0
   39    41    48    59   0.11100  1.0 3.0
   39    41    49    50  -0.07800  1.0 1.0
   39    41    49    50  -0.21500 -1.0 2.0
   39    41    49    50  -0.03150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    48   0.09850  1.0 1.0
   40    39    41    48   0.15250 -1.0 2.0
   40    39    41    48  -0.50650  1.0 3.0
   40    39    41    49   0.67800  1.0 1.0
   40    39    41    49   0.47050 -1.0 2.0
   40    39    41    49  -0.62500  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43   -51    63   0.34400  1.0 1.0
   40    43   -51    63   0.09450 -1.0 2.0
   40    43   -51    63   0.11100  1.0 3.0
   40    43   -63    51   0.34400  1.0 1.0
   40    43   -63    51   0.09450 -1.0 2.0
   40    43   -63    51   0.11100  1.0 3.0
   40    43    63    64   0.15000  1.0 3.0
   40    43    63    65   0.15000  1.0 3.0
   40    43    54    66   0.31000  1.0 1.0
   40    43    54    66   0.14700 -1.0 2.0
   40    43    54    66   0.07550  1.0 3.0
   40    43    54    68   0.34400  1.0 1.0
   40    43    54    68   0.09450 -1.0 2.0
   40    43    54    68   0.11100  1.0 3.0
   40    43    54    72   1.05650  1.0 1.0
   40    43    54    72   0.15600 -1.0 2.0
   40    43    54    72   0.53150  1.0 3.0
   43    40    44    45   0.34800  1.0 3.0
   43    40    44    46   0.34800  1.0 3.0
   43    40    44    47   0.34800  1.0 3.0
   43    51   -63    64   0.15000  1.0 3.0
   43    51   -63    65   0.15000  1.0 3.0
   43    54   -66    38   0.09850  1.0 1.0
   43    54   -66    38   0.15250 -1.0 2.0
   43    54   -66    38  -0.50650  1.0 3.0
   43    54    66    67   0.09700  1.0 1.0
   43    54    66    67   0.15600 -1.0 2.0
   43    54    66    67  -0.50800  1.0 3.0
   43    54    68    69   0.15000  1.0 3.0
   43    54    68    70   0.15000  1.0 3.0
   43    54    68    71   0.15000  1.0 3.0
   43    54    72    73  -0.11600  1.0 1.0
   43    54    72    73  -0.09450 -1.0 2.0
   43    54    72    73   0.21250  1.0 3.0
   51    43   -63    64   0.15000  1.0 3.0
   51    43   -63    65   0.15000  1.0 3.0
   51    43    54    66   0.34400  1.0 1.0
   51    43    54    66   0.09450 -1.0 2.0
   51    43    54    66   0.11100  1.0 3.0
   51    43    54    68   0.07850  1.0 1.0
   51    43    54    68  -0.03950 -1.0 2.0
   51    43    54    68   0.67350  1.0 3.0
   51    43    54    72   0.86500  1.0 1.0
   51    43    54    72  -0.17500 -1.0 2.0
   51    43    54    72   0.20800  1.0 3.0
   52    51   -63    43   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   53    51   -63    43   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    65   0.15000  1.0 3.0
   63    43   -51    52   0.15000  1.0 3.0
   63    43   -51    53   0.15000  1.0 3.0
   63    43    54    66   0.34400  1.0 1.0
   63    43    54    66   0.09450 -1.0 2.0
   63    43    54    66   0.11100  1.0 3.0
   63    43    54    68   0.07850  1.0 1.0
   63    43    54    68  -0.03950 -1.0 2.0
   63    43    54    68   0.67350  1.0 3.0
   63    43    54    72   0.86500  1.0 1.0
   63    43    54    72  -0.17500 -1.0 2.0
   63    43    54    72   0.20800  1.0 3.0
   54    43    51    52   0.15000  1.0 3.0
   54    43    51    53   0.15000  1.0 3.0
   54    43   -51    63   0.07850  1.0 1.0
   54    43   -51    63  -0.03950 -1.0 2.0
   54    43   -51    63   0.67350  1.0 3.0
   54    43   -63    51   0.07850  1.0 1.0
   54    43   -63    51  -0.03950 -1.0 2.0
   54    43   -63    51   0.67350  1.0 3.0
   54    43    63    64   0.15000  1.0 3.0
   54    43    63    65   0.15000  1.0 3.0
   66    38   -39    40   0.28850  1.0 1.0
   66    38   -39    40   2.61350 -1.0 2.0
   66    38   -39    40   0.78400  1.0 3.0
   66    38    39    41  -0.18600  1.0 3.0
   66    54    68    69   0.15000  1.0 3.0
   66    54    68    70   0.15000  1.0 3.0
   66    54    68    71   0.15000  1.0 3.0
   66    54    72    73  -0.07800  1.0 1.0
   66    54    72    73  -0.21500 -1.0 2.0
   66    54    72    73  -0.03150  1.0 3.0
   68    54    66    38   0.09850  1.0 1.0
   68    54    66    38   0.15250 -1.0 2.0
   68    54    66    38  -0.50650  1.0 3.0
   68    54    66    67   0.09700  1.0 1.0
   68    54    66    67   0.15600 -1.0 2.0
   68    54    66    67  -0.50800  1.0 3.0
   68    54    72    73  -0.11600  1.0 1.0
   68    54    72    73  -0.09450 -1.0 2.0
   68    54    72    73   0.21250  1.0 3.0
   72    54    66    38   0.67800  1.0 1.0
   72    54    66    38   0.47050 -1.0 2.0
   72    54    66    38  -0.62500  1.0 3.0
   72    54    66    67   0.09700  1.0 1.0
   72    54    66    67   0.15600 -1.0 2.0
   72    54    66    67  -0.50800  1.0 3.0
   72    54    68    69   0.23400  1.0 3.0
   72    54    68    70   0.23400  1.0 3.0
   72    54    68    71   0.23400  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    63   0.46850  1.0 1.0
   44    40    43    63   0.08550 -1.0 2.0
   44    40    43    63   0.09800  1.0 3.0
   44    40    43    54   0.46850  1.0 1.0
   44    40    43    54   0.08550 -1.0 2.0
   44    40    43    54   0.09800  1.0 3.0
   41    39    40    43   7.00000 -1.0 2.0
   41    39    40    44   7.00000 -1.0 2.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   41    48    55    58   0.15000  1.0 3.0
   41    48    59    60   0.15000  1.0 3.0
   41    48    59    61   0.15000  1.0 3.0
   41    48    59    62   0.15000  1.0 3.0
   42    41    48    33   0.15000  1.0 3.0
   42    41    48    55   0.15000  1.0 3.0
   42    41    48    59   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    66   0.09850  1.0 1.0
   48    33    38    66   0.15250 -1.0 2.0
   48    33    38    66  -0.50650  1.0 3.0
   48    41    49    50  -0.11600  1.0 1.0
   48    41    49    50  -0.09450 -1.0 2.0
   48    41    49    50   0.21250  1.0 3.0
   55    48    59    60   0.15000  1.0 3.0
   55    48    59    61   0.15000  1.0 3.0
   55    48    59    62   0.15000  1.0 3.0
   59    48    55    56   0.15000  1.0 3.0
   59    48    55    57   0.15000  1.0 3.0
   59    48    55    58   0.15000  1.0 3.0
   49    41    48    33   0.86500  1.0 1.0
   49    41    48    33  -0.17500 -1.0 2.0
   49    41    48    33   0.20800  1.0 3.0
   49    41    48    55   0.86500  1.0 1.0
   49    41    48    55  -0.17500 -1.0 2.0
   49    41    48    55   0.20800  1.0 3.0
   49    41    48    59   0.86500  1.0 1.0
   49    41    48    59  -0.17500 -1.0 2.0
   49    41    48    59   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    66   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   43    44    40    39   1.10000 -1.0 2.0
   54    67    66    38   1.10000 -1.0 2.0
END
